1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide

C14H21BrN2O3S2 — CID 4118418

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2O3S2/c1-3-10(2)16-14(18)11-6-8-17(9-7-11)22(19,20)13-5-4-12(15)21-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18)
InChIKeyZWKBEYIDQZQZLL-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.83
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide

1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide (PubChem CID 4118418) has the molecular formula C14H21BrN2O3S2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
PubChem CID4118418
Molecular FormulaC14H21BrN2O3S2
Molecular Weight409.37 g/mol
Exact Mass408.02
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C14H21BrN2O3S2/c1-3-10(2)16-14(18)11-6-8-17(9-7-11)22(19,20)13-5-4-12(15)21-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18)
InChIKeyZWKBEYIDQZQZLL-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2088500
N-(butan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 3690861
N-(2-methylbutan-2-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2089592
N-(pentan-3-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2409473
1-(5-bromothiophen-2-yl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
CID 4050954
5-bromo-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 4342607
1-({1-[(5-Bromothien-2-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-cyclohexylpiperazine
CID 4670839
1-[(5-bromothien-2-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 5243547
N-(prop-2-en-1-yl)-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 9442359
N-propyl-1-(thiophen-2-ylsulfonyl)piperidine-4-carboxamide
CID 2443807
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 16312925
1-(4,5-Dibromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 45488382

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide (CID 4118418) is 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide?
The InChIKey is ZWKBEYIDQZQZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O3S2/c1-3-10(2)16-14(18)11-6-8-17(9-7-11)22(19,20)13-5-4-12(15)21-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,18).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide?
1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide has a molecular weight of 409.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N-butan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 4118418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).